1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol

C14H20F2OS — CID 114224540

IUPAC1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CC2CCCC(F)(F)C2)s1
InChIInChI=1S/C14H20F2OS/c1-10-5-6-12(18-10)13(2,17)8-11-4-3-7-14(15,16)9-11/h5-6,11,17H,3-4,7-9H2,1-2H3
InChIKeyVIBMJDYOWQLNQE-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.48
Rot. Bonds3

About 1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol

1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol (PubChem CID 114224540) has the molecular formula C14H20F2OS and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol
PubChem CID114224540
Molecular FormulaC14H20F2OS
Molecular Weight274.38 g/mol
Exact Mass274.12
IUPAC Name1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)CC2CCCC(F)(F)C2)s1
InChIInChI=1S/C14H20F2OS/c1-10-5-6-12(18-10)13(2,17)8-11-4-3-7-14(15,16)9-11/h5-6,11,17H,3-4,7-9H2,1-2H3
InChIKeyVIBMJDYOWQLNQE-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol (CID 114224540) is 1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol is Cc1ccc(C(C)(O)CC2CCCC(F)(F)C2)s1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
The InChIKey is VIBMJDYOWQLNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2OS/c1-10-5-6-12(18-10)13(2,17)8-11-4-3-7-14(15,16)9-11/h5-6,11,17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol has a molecular weight of 274.38 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-2-(5-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 114224540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).